3-amino-N-ethyl-4-ethylsulfanylbenzamide

C11H16N2OS — CID 83000148

IUPAC3-amino-N-ethyl-4-ethylsulfanylbenzamide
SMILESCCNC(=O)c1ccc(SCC)c(N)c1
InChIInChI=1S/C11H16N2OS/c1-3-13-11(14)8-5-6-10(15-4-2)9(12)7-8/h5-7H,3-4,12H2,1-2H3,(H,13,14)
InChIKeyWBJWGKPFWWDBSH-UHFFFAOYSA-N
MW224.33 g/mol
LogP2.13
Rot. Bonds4

About 3-amino-N-ethyl-4-ethylsulfanylbenzamide

3-amino-N-ethyl-4-ethylsulfanylbenzamide (PubChem CID 83000148) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 3-amino-N-ethyl-4-ethylsulfanylbenzamide.

Molecular Properties

Compound Name3-amino-N-ethyl-4-ethylsulfanylbenzamide
PubChem CID83000148
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name3-amino-N-ethyl-4-ethylsulfanylbenzamide
SMILESCCNC(=O)c1ccc(SCC)c(N)c1
InChIInChI=1S/C11H16N2OS/c1-3-13-11(14)8-5-6-10(15-4-2)9(12)7-8/h5-7H,3-4,12H2,1-2H3,(H,13,14)
InChIKeyWBJWGKPFWWDBSH-UHFFFAOYSA-N
XLogP2.13
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-amino-N-ethyl-4-ethylsulfanylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-ethyl-4-(4-hydroxybutan-2-ylsulfanyl)benzamide
CID 83000510
3-amino-N-ethyl-4-(3-methylphenyl)sulfanylbenzamide
CID 83000084
3-amino-N-ethyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]benzamide
CID 83000151
4-amino-N-ethyl-3-(2-methoxyethylsulfanyl)benzamide
CID 55190903
3-amino-N-ethyl-4-[methyl(3-methylbutan-2-yl)amino]benzamide
CID 82999983
4-amino-N-ethyl-3-(2-methylsulfonylethylsulfanyl)benzamide
CID 63658099
4-amino-3-(2,3-dihydroxypropylsulfanyl)-N-ethylbenzamide
CID 79682265
3-amino-4-[(dimethylamino)methyl]-N-ethylbenzamide
CID 82165922
3-amino-N-methyl-4-[2-(methylamino)-2-oxoethyl]sulfanylbenzamide
CID 114231695
4-amino-N-ethyl-3-(2-methylsulfanylanilino)benzamide
CID 107643460
3-amino-4-[3,3-dimethylbutan-2-yl(methyl)amino]-N-ethylbenzamide
CID 83000269
4-amino-3-[(4-chlorophenyl)methylsulfanyl]-N-ethylbenzamide
CID 114790171

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-4-ethylsulfanylbenzamide?
The IUPAC name of 3-amino-N-ethyl-4-ethylsulfanylbenzamide (CID 83000148) is 3-amino-N-ethyl-4-ethylsulfanylbenzamide.
What is the SMILES notation for 3-amino-N-ethyl-4-ethylsulfanylbenzamide?
The canonical SMILES for 3-amino-N-ethyl-4-ethylsulfanylbenzamide is CCNC(=O)c1ccc(SCC)c(N)c1.
What is the InChIKey of 3-amino-N-ethyl-4-ethylsulfanylbenzamide?
The InChIKey is WBJWGKPFWWDBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-3-13-11(14)8-5-6-10(15-4-2)9(12)7-8/h5-7H,3-4,12H2,1-2H3,(H,13,14).
What are the key properties of 3-amino-N-ethyl-4-ethylsulfanylbenzamide?
3-amino-N-ethyl-4-ethylsulfanylbenzamide has a molecular weight of 224.33 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-4-ethylsulfanylbenzamide is sourced from PubChem (CID 83000148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).